SCHEMBL6701262

SCHEMBL6701262

CC1(N)CCN(c2ccc(-c3ccccc3)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 14/20 0.50
RET P07949 4/20 0.45
HTR1A P08908 1/20 0.44
DRD4 P21917 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD3 P35462 1/20 0.44
KCNH2 Q12809 1/20 0.44
CNR2 P34972 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6700510 0.78 PTPN11 (0.57) PTPN11HTR1ADRD4HTR2ASLC6A4
SCHEMBL5239673 0.78 CNR2 (0.58) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL645763 0.77 PTPN11 (0.54) PTPN11KCNH2CNR2
SCHEMBL647719 0.76 HSD17B10 (0.58) PTPN11
SCHEMBL3442195 0.75 GPR119 (0.59) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL16773016 0.75 CNR2 (0.69) KCNH2CNR2
SCHEMBL647552 0.73 PTPN11 (0.60) PTPN11RET
SCHEMBL649950 0.73 OGA (0.48) PTPN11
SCHEMBL648751 0.73 KDM4E (0.54) PTPN11
SCHEMBL6703611 0.72 RET (0.56) RET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 PTPN11 1064/4885RET 3084/4885HTR1A 3538/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.